4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

C24H21F4N5O2 — CID 164866887

IUPAC4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(C)[C@@H]3COCc4cc(C(F)(F)F)ccc43)cc12
InChIInChI=1S/C24H21F4N5O2/c1-11-20-21(33(3)31-11)16-7-15(17(25)8-18(16)30-22(20)29)23(34)32(2)19-10-35-9-12-6-13(24(26,27)28)4-5-14(12)19/h4-8,19H,9-10H2,1-3H3,(H2,29,30)/t19-/m1/s1
InChIKeyHNFWCDLAYUWJJW-LJQANCHMSA-N
MW487.46 g/mol
LogP4.51
Rot. Bonds2

About 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 164866887) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164866887
Molecular FormulaC24H21F4N5O2
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(C)[C@@H]3COCc4cc(C(F)(F)F)ccc43)cc12
InChIInChI=1S/C24H21F4N5O2/c1-11-20-21(33(3)31-11)16-7-15(17(25)8-18(16)30-22(20)29)23(34)32(2)19-10-35-9-12-6-13(24(26,27)28)4-5-14(12)19/h4-8,19H,9-10H2,1-3H3,(H2,29,30)/t19-/m1/s1
InChIKeyHNFWCDLAYUWJJW-LJQANCHMSA-N
XLogP4.51
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 164866887) is 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(C)[C@@H]3COCc4cc(C(F)(F)F)ccc43)cc12.
What is the InChIKey of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is HNFWCDLAYUWJJW-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-11-20-21(33(3)31-11)16-7-15(17(25)8-18(16)30-22(20)29)23(34)32(2)19-10-35-9-12-6-13(24(26,27)28)4-5-14(12)19/h4-8,19H,9-10H2,1-3H3,(H2,29,30)/t19-/m1/s1.
What are the key properties of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 487.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 164866887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).